NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3574 8.1744 110.9425 61.1897 70.5653 173.5542 6 N 4.8272 7.8850 120.0945 53.0676 39.3473 173.1194 7 S 4.5524 8.7624 113.5288 57.5912 65.2699 173.5783 8 D 4.8300 8.5575 121.6272 54.8044 41.8544 175.3321 9 F 5.3464 7.9812 114.2540 55.4006 41.6272 174.0043 10 V 4.5487 8.6974 112.1539 59.5560 35.1223 174.8710 11 V 4.7618 8.6070 123.9517 61.3972 33.8073 174.4996 12 I 4.8789 9.0226 128.4785 59.4282 40.6788 174.0665 13 K 5.0671 9.2572 129.1852 54.3279 34.2380 175.1800 14 A 4.4731 8.8385 130.1992 52.2529 19.1601 177.4870 15 L 4.7341 9.0103 122.0028 54.6226 42.6817 175.9053 16 E 4.6761 7.7006 115.5177 54.8018 32.3746 174.3972 17 D 4.4801 8.4141 119.2924 55.5480 41.2929 176.4447 18 G 3.8394 8.0173 109.7344 46.5015 0.0000 174.1597 19 V 3.9239 7.6169 119.6025 62.6938 32.9353 174.3015 20 N 5.3130 9.2587 125.0238 51.4706 41.3611 173.6113 21 V 4.4827 8.7593 124.7570 61.4544 33.4367 174.1878 22 I 4.4862 8.7668 130.1886 59.3978 39.4828 175.1658 23 G 4.0483 8.6728 115.0381 45.2147 0.0000 172.4013 24 L 5.5492 8.6711 125.4284 52.7792 44.3929 176.2056 25 T 4.5256 8.8031 114.5423 61.6617 69.2635 174.3318 26 R 4.1741 7.9171 126.0634 57.1174 30.4583 174.7648 27 G 3.7238 8.9365 108.9227 44.0321 0.0000 173.9435 28 A 4.0669 8.6600 120.9815 54.4442 18.5665 177.5999 29 D 4.7841 7.2732 111.4981 53.3194 42.4101 176.2438 30 T 4.7255 8.2951 122.2026 61.5766 69.9627 172.8165 31 R 4.7998 8.9359 122.4285 53.8824 33.9421 174.3467 32 F 5.2724 8.7738 118.2139 57.9162 39.1073 175.4345 33 H 5.0227 8.6795 116.9971 56.0566 30.6285 173.4411 34 H 4.6713 7.5251 116.5479 55.1677 33.2261 172.2473 35 S 4.6730 8.1637 118.9649 56.3940 64.7180 172.4945 36 E 4.3822 8.9594 129.9400 55.0825 30.7398 174.9662 37 K 4.8686 8.5931 126.8501 55.5401 33.7090 176.0779 38 L 4.9666 8.9878 124.8621 53.1095 44.8551 176.0707 39 D 5.0077 9.0775 123.2833 52.4641 43.2585 175.9778 40 K 4.0052 8.9721 122.1450 58.5073 32.3245 177.0531 41 G 4.0352 8.9040 115.5179 45.1690 0.0000 173.5699 42 E 4.2286 8.0708 119.5847 56.3227 30.7852 176.0055 43 V 4.9366 8.3049 122.2171 61.0119 34.1764 174.2493 44 L 4.7525 9.1841 129.7477 53.2373 44.8754 174.8298 45 I 5.0401 8.4648 126.3162 59.5872 39.2875 174.7482 46 A 4.6756 8.9333 129.0379 50.1340 22.0269 175.4155 47 Q 4.7873 8.6512 121.0633 55.1122 30.3520 175.7439 48 F 4.7582 8.4691 120.2108 57.9163 39.9323 175.2592 49 T 4.6627 8.7790 111.2649 60.2086 71.8806 172.9724 50 E 3.9818 8.9287 121.3311 59.6082 29.5574 177.4651 51 H 4.5972 8.0844 113.8522 56.5868 29.7567 174.2231 52 T 5.3265 8.0128 116.3723 62.0175 70.9179 174.4167 53 S 4.9288 9.0078 120.4034 58.1479 64.9485 173.5184 54 A 4.9957 7.9094 121.4392 51.0043 22.7591 175.0180 55 I 4.9463 8.4833 119.8528 59.4261 40.7711 174.6905 56 K 4.5830 8.9199 128.4284 54.5472 34.6168 174.7585 57 V 4.8053 8.3931 126.5543 61.2106 33.6415 174.5187 58 R 4.5447 9.1537 127.3962 55.5009 32.7655 176.2817 59 G 4.0172 9.0388 109.1473 44.1236 0.0000 172.4511 60 K 4.8003 9.9584 120.5167 55.4290 32.9839 175.5610 61 A 5.1059 8.5193 127.1633 50.8591 23.4584 173.7054 62 Y 4.9854 9.2220 122.1801 56.1347 41.0365 174.5100 63 I 4.8883 8.4128 127.2915 59.4839 40.8198 174.2547 64 Q 5.0080 8.7809 126.0599 54.2885 31.3545 174.9370 65 T 4.8396 8.5578 113.2232 59.2722 72.4180 174.6884 66 R 3.7519 8.5514 120.9661 59.3830 29.8103 176.3960 67 H 4.7389 8.3321 112.4391 55.1357 29.6402 174.4077 68 G 3.7578 6.7961 106.5969 44.1598 0.0000 173.1683 69 V 4.8238 7.7680 113.1659 59.9710 35.2328 174.9763 70 I 4.3896 8.0026 120.3136 60.3388 41.9085 172.6915 71 E 5.3109 8.7126 126.2746 54.4936 32.1560 176.0982 72 S 4.5843 8.7561 118.9920 58.1231 64.9106 172.9287 73 E 4.9870 8.7163 119.7590 54.6145 33.1948 176.2496 74 G 3.7093 8.4164 109.9600 45.9306 0.0000 172.4209 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 T 8.17 4.36 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 6 N 7.88 4.83 0.00 2.78 2.83 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.76 4.55 0.00 4.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.56 4.83 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.98 5.35 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.70 4.55 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.80 0.00 0.00 11 V 8.61 4.76 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.15 0.00 0.00 12 I 9.02 4.88 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.46 0.90 0.00 0.00 13 K 9.26 5.07 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.41 7.81 14 A 8.84 4.47 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 9.01 4.73 0.00 1.57 1.72 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.68 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 17 D 8.41 4.48 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.02 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.62 3.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.04 0.00 0.00 20 N 9.26 5.31 0.00 2.57 2.59 0.00 0.00 6.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.76 4.48 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.89 0.00 0.00 22 I 8.77 4.49 1.39 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.22 -0.59 0.00 0.00 23 G 8.67 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.67 5.55 0.00 1.91 1.67 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.80 4.53 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 26 R 7.92 4.17 0.00 1.91 2.00 0.00 3.20 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.94 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.66 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.27 4.78 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.30 4.73 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 31 R 8.94 4.80 0.00 1.84 2.00 0.00 2.80 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 32 F 8.77 5.27 0.00 2.85 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.68 5.02 0.00 3.12 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.53 4.67 0.00 3.31 3.10 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.16 4.67 0.00 3.65 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.96 4.38 0.00 2.19 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 37 K 8.59 4.87 0.00 1.64 1.71 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.65 7.81 38 L 8.99 4.97 0.00 1.51 1.53 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.08 5.01 0.00 2.60 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.97 4.01 0.00 1.85 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.53 7.81 41 G 8.90 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.07 4.23 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 43 V 8.30 4.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 44 L 9.18 4.75 0.00 1.71 1.45 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 5.04 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.66 0.00 0.00 46 A 8.93 4.68 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.65 4.79 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 48 F 8.47 4.76 0.00 3.01 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.78 4.66 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 50 E 8.93 3.98 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 51 H 8.08 4.60 0.00 3.24 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.01 5.33 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 53 S 9.01 4.93 0.00 3.81 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.91 5.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.48 4.95 1.85 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.69 0.88 0.00 0.00 56 K 8.92 4.58 0.00 1.83 1.55 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.39 7.81 57 V 8.39 4.81 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.15 4.54 0.00 1.75 1.79 0.00 3.19 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 59 G 9.04 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.96 4.80 0.00 1.91 1.72 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.26 7.81 61 A 8.52 5.11 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.22 4.99 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.41 4.89 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.86 0.00 0.00 64 Q 8.78 5.01 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.11 1.90 0.00 65 T 8.56 4.84 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 66 R 8.55 3.75 0.00 1.70 1.74 0.00 3.29 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 67 H 8.33 4.74 0.00 3.19 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.77 4.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.00 0.00 0.00 70 I 8.00 4.39 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.14 0.86 0.00 0.00 71 E 8.71 5.31 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 72 S 8.76 4.58 0.00 3.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.72 4.99 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 74 G 8.42 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00